Information card for entry 4076268

Structure parameters

• Formula: C17 H16 Cl2 Fe Pd S2
• Calculated formula: C17 H16 Cl2 Fe Pd S2
• SMILES: [Pd]1(Cl)(Cl)[S]([c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([S]1C)[cH]7[cH]8[cH]9[cH]%102)c1ccccc1
• Title of publication: Synthesis, Characterization, and Metal Complexation of Unsymmetrical 1,1‘-Bis(organylthiolato)ferrocenes
• Authors of publication: Gibson, Vernon C.; Long, Nicholas J.; Long, Richard J.; White, Andrew J. P.; Williams, Charlotte K.; Williams, David J.; Grigiotti, Emanuela; Zanello, Piero
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 5
• Pages of publication: 957
• a: 5.8724 ± 0.0007 Å
• b: 8.6686 ± 0.0008 Å
• c: 17.882 ± 0.002 Å
• α: 91.824 ± 0.008°
• β: 94.213 ± 0.01°
• γ: 102.007 ± 0.008°
• Cell volume: 886.93 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.0837
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for significantly intense reflections: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No